Comparing Crude Oils with Different API Gravities on a Molecular Level Using Mass Spectrometric Analysis. Part 1: Whole Crude Oil

Jandyson M. Santos, Alberto Wisniewski, Marcos N. Eberlin and Wolfgang Schrader
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Jandyson M. Santos: ThoMSon Mass Spectrometry Laboratory, University of Campinas-UNICAMP, Institute of Chemistry, Campinas 13083-970, São Paulo, Brazil
Alberto Wisniewski: Department of Chemistry, Federal University of Sergipe-UFS, São Cristóvão 49100-000, Sergipe, Brazil
Marcos N. Eberlin: ThoMSon Mass Spectrometry Laboratory, University of Campinas-UNICAMP, Institute of Chemistry, Campinas 13083-970, São Paulo, Brazil
Wolfgang Schrader: Max-Planck-Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, D-45470 Mülheim an der Ruhr, Germany

Energies, 2018, vol. 11, issue 10, 1-11

Abstract: Different ionization techniques based on different principles have been applied for the direct mass spectrometric (MS) analysis of crude oils providing composition profiles. Such profiles have been used to infer a number of crude oil properties. We have tested the ability of two major atmospheric pressure ionization techniques, electrospray ionization (ESI(±)) and atmospheric pressure photoionization (APPI(+)), in conjunction with Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS). The ultrahigh resolution and accuracy measurements of FT-ICR MS allow for the correlation of mass spectrometric (MS) data with crude oil American Petroleum Institute (API) gravities, which is a major quality parameter used to guide crude oil refining, and represents a value of the density of a crude oil. The double bond equivalent (DBE) distribution as a function of the classes of constituents, as well as the carbon numbers as measured by the carbon number distributions, were examined to correlate the API gravities of heavy, medium, and light crude oils with molecular FT-ICR MS data. An aromaticity tendency was found to directly correlate the FT-ICR MS data with API gravities, regardless of the ionization technique used. This means that an analysis on the molecular level can explain the differences between a heavy and a light crude oil on the basis of the aromaticity of the compounds in different classes. This tendency of FT-ICR MS with all three techniques, namely, ESI(+), ESI(−), and APPI(+), indicates that the molecular composition of the constituents of crude oils is directly associated with API gravity.

Keywords: API gravity; crude oil; SARA fractions; ultrahigh resolution mass spectrometry (search for similar items in EconPapers)
JEL-codes: Q Q0 Q4 Q40 Q41 Q42 Q43 Q47 Q48 Q49 (search for similar items in EconPapers)
Date: 2018
References: View complete reference list from CitEc
Citations: View citations in EconPapers (4)

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